HRID189543

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID15723

Azacyclonol

C18H21NO

HCID30165

Iodide ion

I-

HCID2723694

4'-Tert-butyl-4-chlorobutyrophenone

C14H19ClO

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)(C)c1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1

HCID39380

4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone

C32H39NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9dc1f5c56284bd78ccc8db59e12fa82
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:21]([CH3:22])([CH3:23])([CH3:24])[c:25]1[cH:26][cH:27][c:28]([C:31]([CH2:32][CH2:33][CH2:34][Cl:35])=[O:36])[cH:29][cH:30]1.[C:37](=[O:38])([OH:39])[O-:40].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[I-:43].[K+:41].[K+:42].[c:1]1([C:7]([OH:8])([CH:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[ClH:35].[c:1]1([C:7]([OH:8])([CH:9]2[CH2:10][CH2:11][N:12]([CH2:34][CH2:33][CH2:32][C:31]([c:28]3[cH:27][cH:26][c:25]([C:21]([CH3:22])([CH3:23])[CH3:24])[cH:30][cH:29]3)=[O:36])[CH2:13][CH2:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1